methyl 2-amino-2-[1-(3-bromophenyl)cyclopropyl]acetate

C12H14BrNO2 — CID 115052116

IUPACmethyl 2-amino-2-[1-(3-bromophenyl)cyclopropyl]acetate
SMILESCOC(=O)C(N)C1(c2cccc(Br)c2)CC1
InChIInChI=1S/C12H14BrNO2/c1-16-11(15)10(14)12(5-6-12)8-3-2-4-9(13)7-8/h2-4,7,10H,5-6,14H2,1H3
InChIKeyGKRLHVYHJZRACM-UHFFFAOYSA-N
MW284.15 g/mol
LogP1.98
Rot. Bonds3

About methyl 2-amino-2-[1-(3-bromophenyl)cyclopropyl]acetate

methyl 2-amino-2-[1-(3-bromophenyl)cyclopropyl]acetate (PubChem CID 115052116) has the molecular formula C12H14BrNO2 and a molecular weight of 284.15 g/mol. Its IUPAC name is methyl 2-amino-2-[1-(3-bromophenyl)cyclopropyl]acetate.

Molecular Properties

Compound Namemethyl 2-amino-2-[1-(3-bromophenyl)cyclopropyl]acetate
PubChem CID115052116
Molecular FormulaC12H14BrNO2
Molecular Weight284.15 g/mol
Exact Mass283.02
IUPAC Namemethyl 2-amino-2-[1-(3-bromophenyl)cyclopropyl]acetate
SMILESCOC(=O)C(N)C1(c2cccc(Br)c2)CC1
InChIInChI=1S/C12H14BrNO2/c1-16-11(15)10(14)12(5-6-12)8-3-2-4-9(13)7-8/h2-4,7,10H,5-6,14H2,1H3
InChIKeyGKRLHVYHJZRACM-UHFFFAOYSA-N
XLogP1.98
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.15
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-bromo-3-[1-(1-methoxyethyl)cyclopropyl]benzene
CID 115047487
methyl 1-(3-bromophenyl)cyclobutane-1-carboxylate
CID 75487937
1-[[1-(3-bromophenyl)cyclopropyl]methyl]-3-methoxyurea
CID 56805862
tert-butyl (2S)-2-amino-2-(1-phenylcyclopropyl)acetate
CID 175653869
methyl 1-(3-bromophenyl)-2-methylcyclopropane-1-carboxylate
CID 116843024
ethyl 1-(3-bromophenyl)cyclopropane-1-carboxylate
CID 66765078
methyl 2-hydroxy-2-(1-phenylcyclopropyl)acetate
CID 67810005
methyl 1-(3-bromophenyl)-3-hydroxy-3-methylcyclobutane-1-carboxylate
CID 158225865
methyl 2-amino-2-(5-bromo-2-methylphenyl)acetate
CID 116856962
methyl 2-[1-(3-bromophenyl)ethylamino]butanoate
CID 113292365
1-bromo-3-(1-methoxycyclopentyl)benzene
CID 115047484
1-(3-bromophenyl)cyclohexane-1-carbohydrazide
CID 116844534

Frequently Asked Questions

What is the IUPAC name of methyl 2-amino-2-[1-(3-bromophenyl)cyclopropyl]acetate?
The IUPAC name of methyl 2-amino-2-[1-(3-bromophenyl)cyclopropyl]acetate (CID 115052116) is methyl 2-amino-2-[1-(3-bromophenyl)cyclopropyl]acetate.
What is the SMILES notation for methyl 2-amino-2-[1-(3-bromophenyl)cyclopropyl]acetate?
The canonical SMILES for methyl 2-amino-2-[1-(3-bromophenyl)cyclopropyl]acetate is COC(=O)C(N)C1(c2cccc(Br)c2)CC1.
What is the InChIKey of methyl 2-amino-2-[1-(3-bromophenyl)cyclopropyl]acetate?
The InChIKey is GKRLHVYHJZRACM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14BrNO2/c1-16-11(15)10(14)12(5-6-12)8-3-2-4-9(13)7-8/h2-4,7,10H,5-6,14H2,1H3.
What are the key properties of methyl 2-amino-2-[1-(3-bromophenyl)cyclopropyl]acetate?
methyl 2-amino-2-[1-(3-bromophenyl)cyclopropyl]acetate has a molecular weight of 284.15 g/mol, XLogP of 1.98, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-amino-2-[1-(3-bromophenyl)cyclopropyl]acetate is sourced from PubChem (CID 115052116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).